SCHEMBL645987

SCHEMBL645987

CS(=O)(=O)Oc1ccccc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
DHODH Q02127 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CXCL8 P10145 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
AGTR1 P30556 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA5A P35218 1/20 0.36
CA14 Q9ULX7 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30422165 1.00 EPHX1 (0.39) EPHX1DHODHCYP4F2CYP4A11CXCL8
SCHEMBL6935164 0.85 TAAR1 (0.42) DHODHCXCL8CA1CA2CA9
SCHEMBL18978889 0.84 KMT2A (0.33) CYP4F2CYP4A11CXCL8KDM4EKMT2A
SCHEMBL5545705 0.81 TAAR1 (0.36) DHODHCXCL8CA1CA2CA9
SCHEMBL647641 0.81 TAAR1 (0.36) DHODHCXCL8CA1CA2CA9
SCHEMBL27688793 0.81 TAAR1 (0.44) DHODHCA1CA2CA9TAAR1
SCHEMBL3146283 0.81 TSHR (0.36) DHODHCXCL8CA1CA2CA9
SCHEMBL11103498 0.80 CXCL8 (0.53) CXCL8
SCHEMBL7237280 0.79 KDM4E (0.53) CA1CA2CA9KDM4EKMT2A
SCHEMBL8288339 0.79 TAAR1 (0.43) DHODHCA1CA2CA9TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
CN-101421256-A Thiadiazolidinone inhibitors of ptpase NOVARTIS AG (CH) 2009-04-29 CN disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2007-06-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR EPHX1 2281/4885DHODH 1797/4885CYP4F2 2118/4885
US-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC EPHX1 1977/4885DHODH 2070/4885CYP4F2 1909/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.